| SpectraBase Spectrum ID |
IuJ4yW8KdCL |
| Name |
6-oxo-7-Acetoxyisodrimenin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.146723803 u |
| Formula |
C17H22O5 |
| InChI |
InChI=1S/C17H22O5/c1-9(18)22-13-10-8-21-15(20)11(10)17(4)7-5-6-16(2,3)14(17)12(13)19/h13-14H,5-8H2,1-4H3/t13?,14-,17+/m0/s1 |
| InChIKey |
QWVAFVCTTOJZCS-XLGXCUCASA-N |
| Molecular Weight |
306.358 g/mol |
| SMILES |
C12=C([C@]3(CCCC([C@@]3(C(C2OC(=O)C)=O)[H])(C)C)C)C(=O)OC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.823789 |
